1-{5-[(1H-benzotriazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[(1H-benzotriazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
1-{5-[(1H-benzotriazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | F076-1120 |
| Compound Name: | 1-{5-[(1H-benzotriazol-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3(2H)-yl}ethan-1-one |
| Molecular Weight: | 411.42 |
| Molecular Formula: | C20 H21 N5 O5 |
| Smiles: | CC(N1C(c2cc(c(c(c2)OC)OC)OC)OC(Cn2c3ccccc3nn2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9647 |
| logD: | 1.9642 |
| logSw: | -2.6379 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 84.073 |
| InChI Key: | OWZGFBATZBUCFZ-FQEVSTJZSA-N |